Data quality metrics extracted from 5xpb.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.2",
  "uuid": "b8275c083273f5efb048c882089f2b18",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 56.511,
    "b": 103.722,
    "c": 103.820,
    "alpha": 102.46,
    "beta": 105.81,
    "gamma": 105.77
  },
  "wavelengths": [0.97940],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.00,2.996],
    "number_observations_unique": 38172,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.067
      },
      {
        "type": "I/SigI",
        "value": 13.03
      },
      {
        "type": "Completeness",
        "value": 81.6
      },
      {
        "type": "Redundancy",
        "value": 1.6
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.103,2.996],
      "number_observations_unique": 3334,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.322
        },
        {
          "type": "I/SigI",
          "value": 1.9
        },
        {
          "type": "Completeness",
          "value": 65.0
        },
        {
          "type": "Redundancy",
          "value": 1.3
        }
      ]
    }
  ]

}
  

Table 1 generated from MXLIMS-JSON (via JavaScript):


Binned data generated from MXLIMS-JSON (via JavaScript):